1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine

C11H17N3 — CID 139401923

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine
SMILESCN1CC=C(N2C=CC=C(N)C2)CC1
InChIInChI=1S/C11H17N3/c1-13-7-4-11(5-8-13)14-6-2-3-10(12)9-14/h2-4,6H,5,7-9,12H2,1H3
InChIKeySNWJLHAONGKLRY-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.88
Rot. Bonds1

About 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine

1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine (PubChem CID 139401923) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine
PubChem CID139401923
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine
SMILESCN1CC=C(N2C=CC=C(N)C2)CC1
InChIInChI=1S/C11H17N3/c1-13-7-4-11(5-8-13)14-6-2-3-10(12)9-14/h2-4,6H,5,7-9,12H2,1H3
InChIKeySNWJLHAONGKLRY-UHFFFAOYSA-N
XLogP0.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine (CID 139401923) is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine is CN1CC=C(N2C=CC=C(N)C2)CC1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine?
The InChIKey is SNWJLHAONGKLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13-7-4-11(5-8-13)14-6-2-3-10(12)9-14/h2-4,6H,5,7-9,12H2,1H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine?
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridin-3-amine is sourced from PubChem (CID 139401923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).